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Details

Stereochemistry EPIMERIC
Molecular Formula C24H25FO6S
Molecular Weight 460.515
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S)-1,5-ANHYDRO-1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)HYDROXYMETHYL)-4-METHYLPHENYL)-D-GLUCITOL

SMILES

CC1=CC=C(C=C1C(O)C2=CC=C(S2)C3=CC=C(F)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=IXYKXBFQESXJOP-WNTZTFLTSA-N
InChI=1S/C24H25FO6S/c1-12-2-3-14(24-23(30)22(29)21(28)17(11-26)31-24)10-16(12)20(27)19-9-8-18(32-19)13-4-6-15(25)7-5-13/h2-10,17,20-24,26-30H,11H2,1H3/t17-,20?,21-,22+,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H25FO6S
Molecular Weight 460.515
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:02:54 GMT 2023
Edited
by admin
on Sat Dec 16 16:02:54 GMT 2023
Record UNII
5CUX9X8VFW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S)-1,5-ANHYDRO-1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)HYDROXYMETHYL)-4-METHYLPHENYL)-D-GLUCITOL
Systematic Name English
JNJ-42023566
Common Name English
CANAGLIFLOZIN METABOLITE M9
Common Name English
D-GLUCITOL, 1,5-ANHYDRO-1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)HYDROXYMETHYL)-4-METHYLPHENYL)-, (1S)-
Systematic Name English
Code System Code Type Description
FDA UNII
5CUX9X8VFW
Created by admin on Sat Dec 16 16:02:55 GMT 2023 , Edited by admin on Sat Dec 16 16:02:55 GMT 2023
PRIMARY
PUBCHEM
121428312
Created by admin on Sat Dec 16 16:02:55 GMT 2023 , Edited by admin on Sat Dec 16 16:02:55 GMT 2023
PRIMARY
CAS
1951467-29-0
Created by admin on Sat Dec 16 16:02:55 GMT 2023 , Edited by admin on Sat Dec 16 16:02:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; PLASMA